N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

C15H21N5O2S — CID 72934835

IUPACN-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1C(C)C(=O)NCCC(=O)Nc1nccs1
InChIInChI=1S/C15H21N5O2S/c1-10(2)13-16-6-8-20(13)11(3)14(22)17-5-4-12(21)19-15-18-7-9-23-15/h6-11H,4-5H2,1-3H3,(H,17,22)(H,18,19,21)
InChIKeyGMDORADBBADRFS-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.17
Rot. Bonds7

About N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 72934835) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID72934835
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1C(C)C(=O)NCCC(=O)Nc1nccs1
InChIInChI=1S/C15H21N5O2S/c1-10(2)13-16-6-8-20(13)11(3)14(22)17-5-4-12(21)19-15-18-7-9-23-15/h6-11H,4-5H2,1-3H3,(H,17,22)(H,18,19,21)
InChIKeyGMDORADBBADRFS-UHFFFAOYSA-N
XLogP2.17
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 72934835) is N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is CC(C)c1nccn1C(C)C(=O)NCCC(=O)Nc1nccs1.
What is the InChIKey of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is GMDORADBBADRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-10(2)13-16-6-8-20(13)11(3)14(22)17-5-4-12(21)19-15-18-7-9-23-15/h6-11H,4-5H2,1-3H3,(H,17,22)(H,18,19,21).
What are the key properties of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 335.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 72934835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).